Home Bromides 187998-44-3
187998-44-3,MFCD04122758
Catalog No.:AA002GJX

187998-44-3 | 1-(4-Bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

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100mg
≥ 99% (HPLC)
in stock  
$79.00   $55.00
- +
250mg
in stock  
$90.00   $63.00
- +
1g
98%
in stock  
$253.00   $177.00
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5g
98%
in stock  
$760.00   $532.00
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10g
98%
in stock  
$1,258.00   $881.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002GJX
Chemical Name:
1-(4-Bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
187998-44-3
Molecular Formula:
C11H9BrN2O2
Molecular Weight:
281.1054
MDL Number:
MFCD04122758
SMILES:
Brc1ccc(cc1)n1ncc(c1C)C(=O)O
Properties
Computed Properties
 
Complexity:
267  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.5  

Downstream Synthesis Route
127000-91-3    187998-44-3   
1-(4-Bromo-phenyl)-5-methyl-1H-pyrazole-4-carboxylicacid(1R,2R)-2-(2,4-difluoro-phenyl)-2-hydroxy-1-methyl-3-1,2,4triazol-1-yl-propyl-amide 

[1]Bartroli,Javier;Turmo,Enric;Algueró,Mònica;Boncompte,Eulàlia;Vericat,MariaL.;Conte,Lourdes;Ramis,Joaquim;Merlos,Manuel;García-Rafanell,Julián;Forn,Javier[JournalofMedicinalChemistry,1998,vol.41,#11,p.1855-1868]

[1]Schmidt,Andreas;Muenster,Niels;Dreger,Andrij[AngewandteChemie-InternationalEdition,2010,vol.49,#15,p.2790-2793]

[2]Locationinpatent:experimentalpartDreger,Andrij;CisnerosCamuna,Rafael;Munster,Niels;AndrasRokob,Tibor;Papai,Imre;Schmidt,Andreas[EuropeanJournalofOrganicChemistry,2010,#22,p.4296-4305]

[3]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP1176140,2002,A1Locationinpatent:Page64

[1]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP1176140,2002,A1Locationinpatent:Page121

[1]Schmidt,Andreas;Muenster,Niels;Dreger,Andrij[AngewandteChemie-InternationalEdition,2010,vol.49,#15,p.2790-2793]

[2]Locationinpatent:experimentalpartDreger,Andrij;CisnerosCamuna,Rafael;Munster,Niels;AndrasRokob,Tibor;Papai,Imre;Schmidt,Andreas[EuropeanJournalofOrganicChemistry,2010,#22,p.4296-4305]

187998-44-3   
1-(4-bromophenyl)-N-{3-cyano-4-4-(3,4,5,6-tetrahydro-2H-pyran-4-yl)piperazin-1-ylphenyl}-5-methylpyrazole-4-carboxamide 

[1]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP1176140,2002,A1

Literature
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SDS
Tags:187998-44-3 Molecular Formula|187998-44-3 MDL|187998-44-3 SMILES|187998-44-3 1-(4-Bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid